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2,2'-ジクロロ[1,1'-ビフェニル]

2,2'-Dichlorobiphenyl

HCID 25622
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
13029-08-8
標準SMILES
Clc1ccccc1-c1ccccc1Cl
InChIKey
JAYCNKDKIKZTAF-UHFFFAOYSA-N
分子式
C12H8Cl2
平均分子量
223.09 g/mol
単同位体質量
222.0003056

概要

Crystals. (NTP, 1992)

名称と識別子

優先名称
2,2'-Dichlorobiphenyl
IUPAC
1-chloro-2-(2-chlorophenyl)benzene
現地名
2,2'-ジクロロ[1,1'-ビフェニル]
英語名
2,2'-Dichlorobiphenyl
分子式
C12H8Cl2
分子量
223.1

名称と別名

2,2'-Dichlorobiphenyl13029-08-8PCB 41-chloro-2-(2-chlorophenyl)benzene2,2'-DICHLORO-1,1'-BIPHENYLo,o'-Dichlorobiphenyl2,2'-DichlorodiphenylBiphenyl, 2,2'-dichloro-2,2'-DichlorbiphenylDTXSID4044533NSC-599021433W7U14D
名称をさらに表示
2,2'-ジクロロ-1,1'-ビフェニル2,2'-ジクロロビフェニル2,2'-ジクロロ[1,1'-ビフェニル]2,2′‐ジクロロビフェニル標準品2,2′‐ジクロロビフェニル標準液2,2'-PCB (#4)2,2'-ジクロロビフェニル (35ΜG/ML イソオクタン溶液)2,2'-ジクロロビフェニル, 100 µg/mL in Isooctane2,2′-ジクロロ[1,1′-ビフェニル]PCB-42,2′-ジクロロビフェニル2,2′-ジクロロ-1,1′-ビフェニル2,2′-ジクロロビフェニル標準液BZ NO 42,2'-CBPCB NO 42,2'-PCB2,2'-DCBPBALLSCHMITER NO 4C20000400 PCB No. 4
DTXCID2024533RefChem:53523630-493-32,2'-DCB1,1'-Biphenyl, 2,2'-dichloro-PCB No. 42,2'-Dichlorbiphenyl [German]NSC 59902

データベース識別子

CAS
13029-08-8
PubChem CID
25622
DTXSID
DTXSID4044533
ChEMBL
CHEMBL417802
UNII
1433W7U14D
EC Number
630-493-3
Nikkaji
J43.310A

物性

構造計算による物性

XLogP
5
極性表面積
0 Ų
水素結合供与体数
0
水素結合受容体数
0
回転可能結合数
1
重原子数
14
形式電荷
0
複雑度
161

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.8
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point142 to 144 °F (NTP, 1992)
Physical DescriptionCrystals. (NTP, 1992)
Collision Cross Section140.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]

物理化学的性質

融点
79 · 79-80℃ (hexane )
沸点
289.78 °C · 289.78°C (rough estimate)
比重(密度)
1.249 · 1.2490 (rough estimate)
屈折率
1.594 · 1.5940 (rough estimate)
溶解性
Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
外見
Solid
色
Light Beige to Beige
水溶解度
0.79 mg/L · 0.79mg/L(22.5℃)
Henry's Law Constant
4.6 · 4.6×10-2 mol/(m3Pa) at 25℃, Bamford et al. (2002)
EPAの化学物質情報
2 · 2,2'-Dichlorobiphenyl (13029-08-8)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 7.3% (3 of 41) of reports.

Warning

H373 (92.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P273, P319, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelClass 9
Fire HazardsFlash point data for this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition, this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAryl Halides
Reactivity Profile · 1 件

Simple aromatic halogenated organic compounds, such as 2,2'-DICHLOROBIPHENYL, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSTOT RE 2 (92.7%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Treatment · 1 件

There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4)

Health Effects · 1 件

The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4)

Exposure RoutesOral (L4) ; inhalation (L4) ; dermal (L4)
Toxicity Summary · 1 件

The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66)

Signs and SymptomsChronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3)
Carcinogen Classification1, carcinogenic to humans. (L135)
Toxicity DataLD50: 1010 mg/kg (Oral, Rat) (T14) LD50: 880 mg/kg (Intraperitoneal, Mouse) (T14)

安全データ

rtecs
DV3900000
ridadr
2315
risk_code
33-50/53
化審法
-1
安衛法
特定化学物質障害予防規則:第1類物質,57,57-2
消防法
危-4-1-II
hazard_code
N,Xn
safety_code
35-60-61
hazard_class
9
packing_group
II

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

PCBs are absorbed via inhalation, oral, and dermal routes of exposure. They are trasported in the blood, often bound to albumin. Due to their lipophilic nature they tend to accumulate in lipid-rich tissues, such as the liver, adipose, and skin. Metabolism of PCBs is very slow and varies based on the degree and position of chlorination. PCBs are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 enzymes to polar metabolites that can undergo conjugation with glutathione and glucuronic acid. The major metabolites are hydroxylated products which are excreted in the bile and faeces. The slow metabolism of PCBs means they tend to accumulate in body tissues. (L4, T6)

用途と製造

Uses · 1 件

PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)

応用分野

一般的な説明Crystals.

上流・下流製品情報

上流原料

Benzenesulfonic acid, 4-methyl-, 2-chlorophenyl esterビス(2-クロロフェニル)スルフィドBenzenediazonium, 2-chloro-, tetrafluoroborate(1-)2-クロロフェニルボロン酸2-Chlorophenylzinc iodide2-クロロヨードベンゼンo-ジクロロベンゼン2-ブロモクロロベンゼン

下流製品

(E)-2,2'-ジクロロアゾベンゼン2-クロロフェノールクロロベンゼン

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